UCSF

ZINC00406425

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: Methyl cyclopentanecarboxylate Methyl cyclopentanecarboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1271-71-2 , 4630-80-2 , [4630-80-2]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 4.87 -4.43 0 2 0 26 128.171 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 81-82?/5mm Alfa-Aesar
Boiling_Point 81-82°/5mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
H phrase H226: Flammable liquid and vapor; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P264: Wash face, hands and any exposed skin thoroughly after handling; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P303 + P361 + P353: IF O Acros Organics
R phrase R10: Flammable.; R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )